2-[6-methyl-4-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]hexanoic acid

Systemtic Name: 2-[6-methyl-4-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]hexanoic acid Openeye Name: 2-(2-benzyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)hexanoic acid CAS Name: 2-[6-methyl-4-oxo-2-(phenylmethyl)-1H-pyrimidin-5-yl]hexanoic acid IUPAC Name: 2-(2-benzyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)hexanoic acid Traditional Name: 2-(2-benzyl-4-keto-6-methyl-1H-pyrimidin-5-yl)hexanoic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(NC(=NC1=O)CC2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

CCCCC(C1=C(NC(=NC1=O)CC2=CC=CC=C2)C)C(=O)O

InChI

InChI=1S/C18H22N2O3/c1-3-4-10-14(18(22)23)16-12(2)19-15(20-17(16)21)11-13-8-6-5-7-9-13/h5-9,14H,3-4,10-11H2,1-2H3,(H,22,23)(H,19,20,21)